遇见数据集

reactionSmilesFigShare.txt

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Figshare2022-07-10 更新2026-04-08 收录
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资源简介:

A reaction SMILES dataset (234K), each line in the file represents a valid reaction SMILES. Source material US patents <sub>collection</sub> by Daniel Lowe with data enhancement. Source material also includes reaction SMILES drawn from the general literature. All SMILES are valid by RDKit. Also see https://kmt.vander-lingen.nl

提供机构:
van der Lingen, Rik
创建时间:
2022-07-10
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